CID 66570692

143446-73-5

Structural Information

Molecular Formula
C10H16O4S
SMILES
CCCC(=O)CC1OCC(S1)OC(=O)C
InChI
InChI=1S/C10H16O4S/c1-3-4-8(12)5-9-13-6-10(15-9)14-7(2)11/h9-10H,3-6H2,1-2H3
InChIKey
NVOKHIMPUKEFNE-UHFFFAOYSA-N
Compound name
[2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.07693 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.084206 152.9
[M+Na]+ 255.066148 158.8
[M-H]- 231.069654 156.8
[M+NH4]+ 250.110753 171.8
[M+K]+ 271.040088 159.0
[M+H-H2O]+ 215.074190 147.8
[M+HCOO]- 277.075131 168.1
[M+CH3COO]- 291.090781 187.5
[M+Na-2H]- 253.051596 151.4
[M]+ 232.07638142 157.3
[M]- 232.07747858 157.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.